6-(3-cyano-1-cyclopentyl-6-cyclopropylindol-2-yl)-N-(1,1,1-trifluoropropan-2-yl)pyridine-3-sulfonamide

C25H25F3N4O2S — CID 46938087

IUPAC6-(3-cyano-1-cyclopentyl-6-cyclopropylindol-2-yl)-N-(1,1,1-trifluoropropan-2-yl)pyridine-3-sulfonamide
SMILESCC(NS(=O)(=O)c1ccc(-c2c(C#N)c3ccc(C4CC4)cc3n2C2CCCC2)nc1)C(F)(F)F
InChIInChI=1S/C25H25F3N4O2S/c1-15(25(26,27)28)31-35(33,34)19-9-11-22(30-14-19)24-21(13-29)20-10-8-17(16-6-7-16)12-23(20)32(24)18-4-2-3-5-18/h8-12,14-16,18,31H,2-7H2,1H3
InChIKeyYALLEWCNJLBTOB-UHFFFAOYSA-N
MW502.56 g/mol
LogP5.80
Rot. Bonds6

About 6-(3-cyano-1-cyclopentyl-6-cyclopropylindol-2-yl)-N-(1,1,1-trifluoropropan-2-yl)pyridine-3-sulfonamide

6-(3-cyano-1-cyclopentyl-6-cyclopropylindol-2-yl)-N-(1,1,1-trifluoropropan-2-yl)pyridine-3-sulfonamide (PubChem CID 46938087) has the molecular formula C25H25F3N4O2S and a molecular weight of 502.56 g/mol. Its IUPAC name is 6-(3-cyano-1-cyclopentyl-6-cyclopropylindol-2-yl)-N-(1,1,1-trifluoropropan-2-yl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name6-(3-cyano-1-cyclopentyl-6-cyclopropylindol-2-yl)-N-(1,1,1-trifluoropropan-2-yl)pyridine-3-sulfonamide
PubChem CID46938087
Molecular FormulaC25H25F3N4O2S
Molecular Weight502.56 g/mol
Exact Mass502.17
IUPAC Name6-(3-cyano-1-cyclopentyl-6-cyclopropylindol-2-yl)-N-(1,1,1-trifluoropropan-2-yl)pyridine-3-sulfonamide
SMILESCC(NS(=O)(=O)c1ccc(-c2c(C#N)c3ccc(C4CC4)cc3n2C2CCCC2)nc1)C(F)(F)F
InChIInChI=1S/C25H25F3N4O2S/c1-15(25(26,27)28)31-35(33,34)19-9-11-22(30-14-19)24-21(13-29)20-10-8-17(16-6-7-16)12-23(20)32(24)18-4-2-3-5-18/h8-12,14-16,18,31H,2-7H2,1H3
InChIKeyYALLEWCNJLBTOB-UHFFFAOYSA-N
XLogP5.80
TPSA87.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500502.56
LogP ≤ 55.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(3-cyano-1-cyclopentyl-6-cyclopropylindol-2-yl)-N-(1,1,1-trifluoropropan-2-yl)pyridine-3-sulfonamide?
The IUPAC name of 6-(3-cyano-1-cyclopentyl-6-cyclopropylindol-2-yl)-N-(1,1,1-trifluoropropan-2-yl)pyridine-3-sulfonamide (CID 46938087) is 6-(3-cyano-1-cyclopentyl-6-cyclopropylindol-2-yl)-N-(1,1,1-trifluoropropan-2-yl)pyridine-3-sulfonamide.
What is the SMILES notation for 6-(3-cyano-1-cyclopentyl-6-cyclopropylindol-2-yl)-N-(1,1,1-trifluoropropan-2-yl)pyridine-3-sulfonamide?
The canonical SMILES for 6-(3-cyano-1-cyclopentyl-6-cyclopropylindol-2-yl)-N-(1,1,1-trifluoropropan-2-yl)pyridine-3-sulfonamide is CC(NS(=O)(=O)c1ccc(-c2c(C#N)c3ccc(C4CC4)cc3n2C2CCCC2)nc1)C(F)(F)F.
What is the InChIKey of 6-(3-cyano-1-cyclopentyl-6-cyclopropylindol-2-yl)-N-(1,1,1-trifluoropropan-2-yl)pyridine-3-sulfonamide?
The InChIKey is YALLEWCNJLBTOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25F3N4O2S/c1-15(25(26,27)28)31-35(33,34)19-9-11-22(30-14-19)24-21(13-29)20-10-8-17(16-6-7-16)12-23(20)32(24)18-4-2-3-5-18/h8-12,14-16,18,31H,2-7H2,1H3.
What are the key properties of 6-(3-cyano-1-cyclopentyl-6-cyclopropylindol-2-yl)-N-(1,1,1-trifluoropropan-2-yl)pyridine-3-sulfonamide?
6-(3-cyano-1-cyclopentyl-6-cyclopropylindol-2-yl)-N-(1,1,1-trifluoropropan-2-yl)pyridine-3-sulfonamide has a molecular weight of 502.56 g/mol, XLogP of 5.80, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-cyano-1-cyclopentyl-6-cyclopropylindol-2-yl)-N-(1,1,1-trifluoropropan-2-yl)pyridine-3-sulfonamide is sourced from PubChem (CID 46938087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).